Debug Info

object
{15}
_id
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GVOYFmH7oq8
spectrumID
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GVOYFmH7oq8
cost
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specType
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131072
xnmrNucleus
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dbLocation
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WDD1X:25730:1
hasStructureAssignments
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properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
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spectralOutlier
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compound
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Gabapentin TMS
SpectraBase Compound ID CSUARt02a7w
InChI InChI=1S/C12H25NO2Si/c1-16(2,3)15-11(14)9-12(10-13)7-5-4-6-8-12/h4-10,13H2,1-3H3
InChIKey RTNGRLXGUCABIB-UHFFFAOYSA-N
Mol Weight 243.42 g/mol
Molecular Formula C12H25NO2Si
Exact Mass 243.165456 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVOYFmH7oq8
Name Gabapentin TMS
Classification Pharmaceutical drug derivative
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 243.165455582 u
Formula C12H25NO2Si
InChI InChI=1S/C12H25NO2Si/c1-16(2,3)15-11(14)9-12(10-13)7-5-4-6-8-12/h4-10,13H2,1-3H3
InChIKey RTNGRLXGUCABIB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 243.422 g/mol
Nominal Mass 243 u
Quality 966
Retention Index 1762
SMILES NCC1(CC(O[Si](C)(C)C)=O)CCCCC1
SPLASH splash10-03mi-7920000000-8775d24bf2a254435dfa
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms trimethylsilyl (1-(aminomethyl)cyclohexyl)acetate
Technique GC/MS
Wiley ID DD2024_025730
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